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230634

Sigma-Aldrich

Methyl 4-cyanobenzoate

99%

Synonym(s):

4-Cyanobenzoic acid methyl ester

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About This Item

Linear Formula:
NCC6H4CO2CH3
CAS Number:
1129-35-7
Molecular Weight:
161.16
Beilstein:
1866980
EC Number:
214-443-4
MDL number:
MFCD00001823
UNSPSC Code:
12352100
PubChem Substance ID:
24853823
NACRES:
NA.22

Assay

99%

bp

142-144 °C/12 mmHg (lit.)

mp

65-67 °C (lit.)

functional group

ester
nitrile

SMILES string

COC(=O)c1ccc(cc1)C#N

InChI

1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3

InChI key

KKZMIDYKRKGJHG-UHFFFAOYSA-N

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Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBH7726
STBC8346V
S51105
09217JH
S42744

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